N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine

C16H16BrCl2NO — CID 107998668

IUPACN-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-3-20-16(10-4-7-14(18)13(17)8-10)12-6-5-11(21-2)9-15(12)19/h4-9,16,20H,3H2,1-2H3
InChIKeyRGFSTPZCWIPJIW-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.46
Rot. Bonds5

About N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine

N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 107998668) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
PubChem CID107998668
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC NameN-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-3-20-16(10-4-7-14(18)13(17)8-10)12-6-5-11(21-2)9-15(12)19/h4-9,16,20H,3H2,1-2H3
InChIKeyRGFSTPZCWIPJIW-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine with MolForge

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Related Compounds

1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
1-(3-bromo-4-chlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 115567055
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine (CID 107998668) is N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Br)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is RGFSTPZCWIPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-3-20-16(10-4-7-14(18)13(17)8-10)12-6-5-11(21-2)9-15(12)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 389.12 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107998668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).